SCHEMBL6617848

SCHEMBL6617848

COC(=O)C1CC(C#N)(c2cc(Br)ccc2OC)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.39
PDE4B Q07343 15/20 0.39
PDE4C Q08493 15/20 0.39
PDE4D Q08499 15/20 0.39
WDR5 P61964 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11096376 0.82 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL11091127 0.82 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL11826260 0.81 PSEN1 (0.37) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL6604510 0.80 LMNA (0.39) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL6601490 0.79 PDE4B (0.34) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL6618935 0.78 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DWDR5
SCHEMBL4241620 0.78 PSEN1 (0.35) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL11096494 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8022068 0.77 ADRA1A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430870 0.77 PSEN1 (0.44) PDE4APDE4BPDE4CPDE4DPSEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463718-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER Incyte San Diego Incorporated (US) 2004-10-06 EP disclosed
US-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer INCYTE SAN DIEGO INCORPORATED 2004-05-20 US disclosed
WO-2003050098-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER INCYTE SAN DIEGO INCORPORATED (US) 2003-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer PTPA, PTPRC, PTPRCAP PDE4A 715/4885PDE4B 936/4885PDE4C 665/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.